Detailed information for compound 1846365

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.621 | Formula: C23H27N5O5S2
  • H donors: 1 H acceptors: 5 LogP: 2.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1ccc2c(c1)oc(=O)c(c2)Cn1nnc(c1)CSC(=S)N1CCN(CC1)C(=O)OC(C)(C)C
  • InChi: 1S/C23H27N5O5S2/c1-23(2,3)33-21(31)26-6-8-27(9-7-26)22(34)35-14-17-13-28(25-24-17)12-16-10-15-4-5-18(29)11-19(15)32-20(16)30/h4-5,10-11,13,29H,6-9,12,14H2,1-3H3
  • InChiKey: YPFLKITUVHUEOM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.019 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Trichomonas vaginalis hypothetical protein 0.0366 1 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.019 0 0.5
Schistosoma mansoni neuropeptide receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis somatostatin receptor 0.019 0 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.019 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.019 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.019 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.019 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.019 0 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0366 1 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.019 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.019 0 0.5
Schistosoma mansoni opsin-like receptor 0.019 0 0.5
Echinococcus granulosus fmrfamide receptor 0.019 0 0.5
Schistosoma mansoni neuropeptide receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Schistosoma mansoni myosin xvIII 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.019 0 0.5
Schistosoma mansoni hypothetical protein 0.019 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.019 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.019 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.019 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.019 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.019 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.019 0 0.5
Brugia malayi GnHR receptor homolog 0.019 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.019 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.019 0 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0366 1 0.5
Brugia malayi RE15519p 0.019 0 0.5
Echinococcus multilocularis serotonin receptor 0.019 0 0.5
Echinococcus granulosus serotonin receptor 0.019 0 0.5
Echinococcus granulosus neuropeptide receptor 0.019 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Schistosoma mansoni hypothetical protein 0.019 0 0.5
Brugia malayi G-protein coupled receptor 0.019 0 0.5
Schistosoma mansoni amine GPCR 0.019 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Echinococcus granulosus orexin receptor type 2 0.019 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.019 0 0.5
Echinococcus granulosus g protein coupled receptor 0.019 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.019 0 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Brugia malayi Melatonin receptor type 1A 0.019 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Echinococcus granulosus hypothetical protein 0.019 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.019 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.019 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.019 0 0.5
Brugia malayi Dopamine receptor protein 2 0.019 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.019 0 0.5
Schistosoma mansoni amine GPCR 0.019 0 0.5
Schistosoma mansoni histamine h1 receptor 0.019 0 0.5
Schistosoma mansoni amine GPCR 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.019 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.019 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.019 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.019 0 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.019 0 0.5
Echinococcus granulosus sex peptide receptor 0.019 0 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0366 1 0.5
Schistosoma mansoni biogenic amine receptor 0.019 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.019 0 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.019 0 0.5
Schistosoma mansoni biogenic amine receptor 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.019 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Brugia malayi larval opioid receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Brugia malayi Serotonin receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.019 0 0.5
Schistosoma mansoni hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.019 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.019 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.019 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.019 0 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.019 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.019 0 0.5
Brugia malayi sulfakinin receptor protein 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Schistosoma mansoni biogenic amine receptor 0.019 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.019 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.019 0 0.5
Schistosoma mansoni hypothetical protein 0.019 0 0.5
Plasmodium falciparum enoyl-acyl carrier reductase 0.0366 1 0.5
Schistosoma mansoni neuropeptide receptor 0.019 0 0.5
Echinococcus granulosus allatostatin A receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.019 0 0.5
Brugia malayi neuropeptide F receptor 0.019 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.019 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.019 0 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.019 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.019 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.019 0 0.5
Brugia malayi Dopamine receptor protein 1 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.019 0 0.5
Loa Loa (eye worm) TYRA-2 protein 0.019 0 0.5
Schistosoma mansoni neuropeptide receptor 0.019 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.019 0 0.5
Brugia malayi G-protein coupled receptor 0.019 0 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus g protein coupled receptor 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Schistosoma mansoni amine GPCR 0.019 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.019 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.019 0 0.5
Echinococcus granulosus neuropeptide receptor 0.019 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.019 0 0.5
Brugia malayi AKH receptor 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Brugia malayi ORL1-like opioid receptor 0.019 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.019 0 0.5
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0366 1 0.5
Schistosoma mansoni amine GPCR 0.019 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.019 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.019 0 0.5
Echinococcus granulosus g protein coupled receptor 0.019 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.019 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.019 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.019 0 0.5
Echinococcus multilocularis serotonin receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.019 0 0.5
Schistosoma mansoni opsin-like receptor 0.019 0 0.5
Brugia malayi putative neuropeptide receptor 0.019 0 0.5
Echinococcus multilocularis sex peptide receptor 0.019 0 0.5
Schistosoma mansoni adenoreceptor 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.019 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.019 0 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0366 1 0.5
Onchocerca volvulus 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.019 0 0.5
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0366 1 0.5
Brugia malayi Dopamine receptor 0.019 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.019 0 0.5
Brugia malayi G protein-coupled receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.019 0 0.5
Brugia malayi neuropeptide F receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.019 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Echinococcus granulosus somatostatin receptor 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.019 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.019 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Schistosoma mansoni opsin-like receptor 0.019 0 0.5
Brugia malayi hypothetical protein 0.019 0 0.5
Onchocerca volvulus 0.019 0 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.019 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.019 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.019 0 0.5
Brugia malayi Serotonin receptor 0.019 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 102.56 uM Inhibition of recombinant human LSD1 expressed in Escherichia coli BL21(DE3) using H3K4me2 as substrate by fluorescence assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.